5-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol

Systemtic Name: 5-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Openeye Name: 5-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-2-ethyl-thiazolo[3,2-b][1,2,4]triazol-6-ol CAS Name: 5-[(S)-(4-bromophenyl)-(1-pyrrolidin-1-iumyl)methyl]-2-ethyl-6-thiazolo[3,2-b][1,2,4]triazolol IUPAC Name: 5-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-ylmethyl]-2-ethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-ol Traditional Name: 5-[(S)-(4-bromophenyl)-pyrrolidin-1-ium-1-yl-methyl]-2-ethyl-thiazolo[3,2-b][1,2,4]triazol-6-ol Formula: C17H20BrN4OS+ MolecularWeight: 408.3359

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=C(SC2=N1)C(C3=CC=C(C=C3)Br)[NH+]4CCCC4)O

Isomeric SMILES

CCC1=NN2C(=C(SC2=N1)[C@H](C3=CC=C(C=C3)Br)[NH+]4CCCC4)O

InChI

InChI=1S/C17H19BrN4OS/c1-2-13-19-17-22(20-13)16(23)15(24-17)14(21-9-3-4-10-21)11-5-7-12(18)8-6-11/h5-8,14,23H,2-4,9-10H2,1H3/p+1/t14-/m0/s1